mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-27 15:42:30 +02:00
191 lines
4.6 KiB
Fortran
191 lines
4.6 KiB
Fortran
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BEGIN_PROVIDER [ double precision, one_creat_spin_trace, (n_act_orb)]
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implicit none
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integer :: i
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do i = 1, n_act_orb
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one_creat_spin_trace(i) = one_creat(i,1) + one_creat(i,2)
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one_creat_spin_trace(i) = 0.5d0 * one_creat_spin_trace(i)
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, one_anhil_spin_trace, (n_act_orb)]
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implicit none
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integer :: i
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do i = 1, n_act_orb
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one_anhil_spin_trace(i) = one_anhil(i,1) + one_anhil(i,2)
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one_anhil_spin_trace(i) = 0.5d0 * one_anhil_spin_trace(i)
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_creat_spin_trace, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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two_creat_spin_trace(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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two_creat_spin_trace(j,i) += two_creat(j,i,ispin,jspin)
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counting += 1.d0
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enddo
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enddo
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two_creat_spin_trace(j,i) = two_creat_spin_trace(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_anhil_spin_trace, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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two_anhil_spin_trace(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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two_anhil_spin_trace(j,i) += two_anhil(j,i,ispin,jspin)
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counting += 1.d0
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enddo
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enddo
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two_anhil_spin_trace(j,i) = two_anhil_spin_trace(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, one_anhil_one_creat_spin_trace, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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one_anhil_one_creat_spin_trace(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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one_anhil_one_creat_spin_trace(j,i) += one_anhil_one_creat(j,i,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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one_anhil_one_creat_spin_trace(j,i) = one_anhil_one_creat_spin_trace(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_anhil_one_creat_spin_trace, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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two_anhil_one_creat_spin_trace(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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two_anhil_one_creat_spin_trace(k,j,i) += two_anhil_one_creat(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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two_anhil_one_creat_spin_trace(k,j,i) = two_anhil_one_creat_spin_trace(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_creat_one_anhil_spin_trace, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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two_creat_one_anhil_spin_trace(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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two_creat_one_anhil_spin_trace(k,j,i) += two_creat_one_anhil(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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two_creat_one_anhil_spin_trace(k,j,i) = two_creat_one_anhil_spin_trace(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, three_creat_spin_trace, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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three_creat_spin_trace(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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three_creat_spin_trace(k,j,i) += three_creat(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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three_creat_spin_trace(k,j,i) = three_creat_spin_trace(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, three_anhil_spin_trace, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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three_anhil_spin_trace(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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three_anhil_spin_trace(k,j,i) += three_anhil(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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three_anhil_spin_trace(k,j,i) = three_anhil_spin_trace(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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